SCHEMBL10081975

SCHEMBL10081975

C[C@]1(F)C(=O)OC(CO)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.43
▸ LGALS1 P09382 1/20 0.43
▸ LGALS3 P17931 1/20 0.43
▸ LGALS7; LGALS7B P47929 1/20 0.43
▸ RNASE1 P07998 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ABCB1 P08183 8/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19326490 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL475965 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL14769872 0.90 KMT2A (0.40) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL13151599 0.88 ALDH1A1 (0.47) GAAKMT2ANPSR1MAPTHTT
SCHEMBL15117573 0.88 ALDH1A1 (0.47) GAAKMT2ANPSR1MAPTHTT
SCHEMBL475953 0.88 ALDH1A1 (0.47) GAAKMT2ANPSR1MAPTHTT
SCHEMBL14473769 0.88 ALDH1A1 (0.47) GAAKMT2ANPSR1MAPTHTT
SCHEMBL12481647 0.88 ALDH1A1 (0.47) GAAKMT2ANPSR1MAPTHTT
SCHEMBL12355575 0.87 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL12355573 0.87 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492539-B2 Preparation of 2′-fluoro-2′-alkyl-substituted or other optionally substituted ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2013-07-23 — — US disclosed
US-8481713-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2013-07-09 — — US disclosed
US-8481713-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2013-07-09 — — US disclosed
EP-1773856-B1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET INC (US) 2012-02-01 — — EP disclosed
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2010-09-16 — — US disclosed
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2010-09-16 — — US disclosed
US-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSETT, INC. (US) 2010-02-25 — — US disclosed
US-7601820-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSET, INC. (US) 2009-10-13 — — US disclosed
US-7601820-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSET, INC. (US) 2009-10-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS LGALS9 2175/4885LGALS1 1873/4885LGALS3 1938/4885
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS LGALS9 2175/4885LGALS1 1873/4885LGALS3 1938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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